skip to main content

DOE PAGESDOE PAGES

Title: Cation-containing lipid membranes – experiment and md simulations

Here, using small angle neutron diffraction and molecular dynamics simulations we studied the interactions between calcium (Ca 2+) or zinc (Zn 2+) cations, and oriented gel phase dipalmitoyl-phosphatidylcholine (DPPC) bilayers. For both cations studied at ~1:7 divalent metal ion to lipid molar ratio (Me2+:DPPC), bilayer thickness increased. Simulation results helped reveal subtle differences in the effects of the two cations on gel phase membranes.
Authors:
 [1] ;  [2] ;  [3] ; ORCiD logo [4] ;  [5]
  1. Comenius Univ., Bratislava (Slovakia). Dept. of Physical Chemistry of Drugs; Frank Lab. of Neutron Physics, Dubna (Russia)
  2. Joint Inst. for Nuclear Research (JINR), Dubna (Russian Federation). Lab. of Radiation Biology
  3. Frank Lab. of Neutron Physics, Dubna (Russia); Dubna State Univ., Dubna (Russia)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Shull Wollan Center: A Joint Inst. for Neutron Sciences
  5. Comenius Univ., Bratislava (Slovakia). Dept. of Physical Chemistry of Drugs
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
European Pharmaceutical Journal
Additional Journal Information:
Journal Volume: 64; Journal Issue: 2; Journal ID: ISSN 2453-6725
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; Lipid bilayer; metal ions; small angle neutron diffraction; MD simulations; simulation-to-experiment analysis
OSTI Identifier:
1423100